Basic information
- CAS
6009-97-8- Standard SMILES
Cc1ccc(C(=O)O)c(N(CCCl)CCCl)c1- InChIKey
QNBUCFHYTAXDFW-UHFFFAOYSA-N- Molecular formula
- C12H15Cl2NO2
- Average molar mass
- 276.16 g/mol
- Monoisotopic mass
- 275.0479841
Names & identifiers
- Preferred name
- p-Toluic acid, 2-bis(2-chloroethyl)amino-
- IUPAC
- 2-[bis(2-chloroethyl)amino]-4-methylbenzoic acid
- English name
- 2-[Bis(2-chloroethyl)amino]-p-toluic acid
- Molecular formula
- C12H15Cl2NO2
- Molecular weight
- 276.16
Names & synonyms
p-Toluic acid, 2-bis(2-chloroethyl)amino-BRN 30961932-Bis(2-chloroethyl)amino-p-toluic acid6009-97-82-Bis(2-chloroethyl)amino-4-methylbenzoic acidBenzoic acid, 2-bis(2-chloroethyl)amino-4-methyl-Acidul 2,N,N-di-(2-cloretil)amino-4-metilbenzoic [Romanian]DTXSID90208836Acidul 2,N,N-di-(2-cloretil)amino-4-metilbenzoicRefChem:367788DTXCID401313272-[bis(2-chloroethyl)amino]-4-methylbenzoic acid
Show more names
2-[Bis(2-chloroethyl)amino]-p-toluic acidBenzoic acid, 2-[bis(2-chloroethyl)amino]-4-methyl-
3-di-(2-chloroethyl)amino-4-toluic acid
Database identifiers
- CAS
6009-97-8- PubChem CID
- 201449
- DTXSID
DTXSID90208836- Nikkaji
- J48.060F
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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